UCSF

ZINC41512279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 11.04 -41.67 2 5 1 68 368.453 3
Mid Mid (pH 6-8) 3.94 11.61 -29.92 1 5 0 71 367.445 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )